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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL151346
CHEMBL151346
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H27F3N4O3S

Additional synonyms for CHEMBL151346 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCn1nc(C(C)C)c(C(=O)N)c1Cc2ccc(cc2)c3ccccc3NS(=O)(=O)C(F)(F ...
Download SMILES
Standard InChI InChI=1S/C24H27F3N4O3S/c1-4-13-31-20(21(23(28)32)22(29-31)15 ...
Download InChI
Standard InChI Key MFFTZEBTZQGRMI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL151346

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
508.6 508.1756 5.03 9 107.08 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 2 7 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.18 .91 4.33 2.35 3 35 0.42

Structural Alerts

There are 1 structural alerts for CHEMBL151346. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MFFTZEBTZQGRMI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL151346



PubChem 44368234
ZINC ZINC000027642505

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/MFFTZEBTZQGRMI-UHFFFAOYSA-N spacer
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